SCHEMBL29682804

SCHEMBL29682804

O=[N+]([O-])c1c(NC2CCOCC2)ccnc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTT P42858 2/20 0.49
PRKD1 Q15139 4/20 0.45
PRKD2 Q9BZL6 2/20 0.43
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2C P28335 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
IKBKB O14920 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29682838 0.77 MEN1 (0.44) MEN1KMT2AIRAK4MAPK1
SCHEMBL25616569 0.77 MEN1 (0.44) MEN1KMT2AIRAK4MAPK1
SCHEMBL28715942 0.76 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ADRB1
SCHEMBL6276159 0.72 ADRB1 (0.48) MAPTCYP1A2CYP2C9CYP2C19ADRB1
SCHEMBL30448314 0.68 MAPK1 (0.40) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL25616568 0.68 MAPK1 (0.40) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL24527350 0.68 HRH4 (0.43) KMT2AIRAK4MAPK1
SCHEMBL29682546 0.68 HRH4 (0.43) KMT2AIRAK4MAPK1
SCHEMBL30387000 0.68 ATR (0.48) MEN1KMT2A
SCHEMBL28465445 0.68 ATR (0.48) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022132803-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 WO disclosed